(3S)-2,5-Dioxooxolan-3-yl acetate

C₆H₆O₅CAS 59025-03-5158.11 g/mol

Open in Covalent MOL file

Acid anhydride Ester

Properties

Molecular formula: C₆H₆O₅
Molar mass: 158.11 g/mol
Exact mass: 158.0215 Da
logP: -0.61Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

59025-03-5

SMILES

CC(=O)O[C@H]1CC(=O)OC1=O

InChIKey

SSWJHSASZZAIAU-BYPYZUCNSA-N

InChI

InChI=1S/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m0/s1

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Names and synonyms

1 names

(-)-O-Acetyl-L-malic anhydride

Work with (3S)-2,5-Dioxooxolan-3-yl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-7Enantiomer

Similar compounds

(+)-Diacetyl-L-tartaric anhydride6283-74-548 % similar D-Diacetyltartaric anhydride70728-23-348 % similar Methylsuccinic anhydride4100-80-547 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-047 % similar S-Acetylmercaptosuccinic anhydride6953-60-243 % similar 1-Bromoethyl acetate40258-78-439 % similar Isopropyl acetate108-21-439 % similar 2,3-Diacetoxybutane1114-92-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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